SCHEMBL3365749

SCHEMBL3365749

O=C(O)C1CC(=O)N(c2ccc(OCc3cccc(Cl)c3)cc2)C1

nearest known ligand 0.78

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.71
FFAR1 O14842 1/20 0.71
GLA P06280 1/20 0.69
S1PR1 P21453 1/20 0.65
S1PR5 Q9H228 1/20 0.65
RAB9A P51151 5/20 0.62
NPC1 O15118 4/20 0.62
KMT2A Q03164 3/20 0.62
MEN1 O00255 2/20 0.60
ALDH1A1 P00352 1/20 0.60
POLB P06746 4/20 0.56
RXRA P19793 1/20 0.54
RXRB P28702 1/20 0.54
RXRG P48443 1/20 0.54
MAOA P21397 1/20 0.53
MAOB P27338 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.52

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3365746 1.00 HPGD (0.71) HPGDFFAR1GLAS1PR1S1PR5
SCHEMBL3365247 0.89 ALDH1A1 (0.65) HPGDFFAR1GLAS1PR1S1PR5
SCHEMBL3369179 0.89 ALDH1A1 (0.65) HPGDFFAR1GLAS1PR1S1PR5
SCHEMBL3365250 0.89 ALDH1A1 (0.65) HPGDFFAR1GLAS1PR1S1PR5
SCHEMBL3366211 0.88 NPC1 (0.62) HPGDFFAR1GLARAB9ANPC1
SCHEMBL3365886 0.88 NPC1 (0.62) HPGDFFAR1GLARAB9ANPC1
SCHEMBL3365892 0.88 NPC1 (0.62) HPGDFFAR1GLARAB9ANPC1
SCHEMBL3363933 0.88 GLA (0.75) HPGDFFAR1GLAS1PR5RAB9A
SCHEMBL3363939 0.88 GLA (0.75) HPGDFFAR1GLAS1PR5RAB9A
SCHEMBL3369373 0.88 GLA (0.75) HPGDFFAR1GLAS1PR5RAB9A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1542969-B1 PYRROLIDONE DERIVATIVES AS MAOB INHIBITORS HOFFMANN LA ROCHE (CH) 2010-03-03 EP disclosed
US-7122562-B2 4-pyrrolidino-phenyl-benzyl ether derivatives HOFFMANN-LA ROCHE INC. (US) 2006-10-17 US disclosed
US-20060122235-A1 Amine oxidase inhibitor; use in treating Alzheimer's disease; for example, (RS)-1-[6-(4-fluoro-benzyloxy)-pyridin-3-yl]-5-oxo-pyrrolidine-3-carboxylic acid methylamide IDING HANS 2006-06-08 US disclosed
US-7037935-B2 4-Pyrrolidino-phenyl-benzyl ether derivatives HOFFMANN-LA ROCHE INC. (US) 2006-05-02 US disclosed
EP-1542969-A1 PYRROLIDONE DERIVATIVES AS MAOB INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2005-06-22 EP disclosed
US-20040106650-A1 4-Pyrrolidino-phenyl-benzyl ether derivatives HOFFMANN-LA ROCHE INC. 2004-06-03 US disclosed
WO-2004026827-A1 PYRROLIDONE DERIVATIVES AS MAOB INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2004-04-01 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20040106650-A1 4-Pyrrolidino-phenyl-benzyl ether derivatives MAOB, MAOA, COMT HPGD 151/4885FFAR1 3869/4885GLA 133/4885
US-20060122235-A1 Amine oxidase inhibitor; use in treating Alzheimer's disease; for example, (RS)-1-[6-(4-fluoro-benzyloxy)-pyridin-3-yl]-5-oxo-pyrrolidine-3-carboxylic acid methylamide MAOA, MAOB, PNPO HPGD 352/4885FFAR1 1870/4885GLA 459/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.